Inorganic Solid Phases

Cs5.25K1.75(NH4)2[{Mo3S4(H2O)3CuCl}AsW15O53]·12.07H2O (Cs7[NH4]2CuW15Mo3[AsO3]S4ClO50[H2O]15.07, T = 91 K) Crystal Structure

General Information

  • Phase Label(s): Cs7[NH4]2CuW15Mo3[AsO3]S4ClO50[H2O]15.07
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP456
  • Space Group: 14
  • Phase Prototype: Cs5.25K1.75[NH4]2CuW15Mo3[AsO3]S4ClO50[H2O]15.07
  • Measurement Detail(s): automatic diffractometer; 9853 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 91 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenite, chloride, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 974 variables; 14618 reflections; I > 2σ(I), R = 0.0591; wR = 0.1452
  • Sample Detail(s): sample prepared from K3[NH4]9([H4AsW9O33]2(Mo3S4[H2O]5))2[H2O]48, CuI, HCl, CsCl, single crystal (determination of cell parameters), single crystal, 0.03×0.24×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs7[NH4]2CuW15Mo3[AsO3]S4ClO50[H2O]15.07
  • Alphabetic Formula: [AsO3]ClCs7Cu[H2O]15.07Mo3[NH4]2O50S4W15
  • Published Formula: Cs5.25K1.75(NH4)2[{Mo3S4(H2O)3CuCl}AsW15O53]·12.07H2O
  • Refined Formula: AsClCs5.25CuH38.12K1.75Mo3N2O68.06S4W15
  • Wyckoff Sequence: 14,e114
  • Z Formula Units: 4
  • Density: ρ = 4.74 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1631312

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied